5-(piperidin-1-ylmethyl)-4H-azepine

C12H18N2 — CID 123405058

IUPAC5-(piperidin-1-ylmethyl)-4H-azepine
SMILESC1=CN=CC=C(CN2CCCCC2)C1
InChIInChI=1S/C12H18N2/c1-2-9-14(10-3-1)11-12-5-4-7-13-8-6-12/h4,6-8H,1-3,5,9-11H2
InChIKeyRCHCRCLHYFYOJP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.39
Rot. Bonds2

About 5-(piperidin-1-ylmethyl)-4H-azepine

5-(piperidin-1-ylmethyl)-4H-azepine (PubChem CID 123405058) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-4H-azepine.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-4H-azepine
PubChem CID123405058
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-(piperidin-1-ylmethyl)-4H-azepine
SMILESC1=CN=CC=C(CN2CCCCC2)C1
InChIInChI=1S/C12H18N2/c1-2-9-14(10-3-1)11-12-5-4-7-13-8-6-12/h4,6-8H,1-3,5,9-11H2
InChIKeyRCHCRCLHYFYOJP-UHFFFAOYSA-N
XLogP2.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
2-piperidin-1-yl-4H-azepine
CID 134292058
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
(3Z)-N-ethenyl-3-ethylidene-1-methylpiperidin-4-imine
CID 143453432
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
(E)-N-ethenyl-3-[(3E)-1-ethyl-4-methylidene-3-prop-2-enylidenepiperidin-2-yl]prop-2-en-1-imine
CID 143866486
ethane;4-(1-ethenyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydropyridine
CID 144911657
(2E,4E)-N-ethenyl-3-methyl-5-piperidin-1-ylpenta-2,4-dien-1-imine
CID 170342421
(3Z)-N-ethenyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 170634592
N-[5-ethenyl-2-methyl-7-(1-methylpiperidin-4-ylidene)-6-[(Z)-prop-1-enyl]cyclohepta-1,5-dien-1-yl]prop-2-en-1-imine
CID 142087462
2,8-Dimethyl-1,3,4,9-tetrahydropyrido[4,3-c]azepine
CID 142805065

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-4H-azepine?
The IUPAC name of 5-(piperidin-1-ylmethyl)-4H-azepine (CID 123405058) is 5-(piperidin-1-ylmethyl)-4H-azepine.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-4H-azepine?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-4H-azepine is C1=CN=CC=C(CN2CCCCC2)C1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-4H-azepine?
The InChIKey is RCHCRCLHYFYOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-9-14(10-3-1)11-12-5-4-7-13-8-6-12/h4,6-8H,1-3,5,9-11H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-4H-azepine?
5-(piperidin-1-ylmethyl)-4H-azepine has a molecular weight of 190.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-4H-azepine is sourced from PubChem (CID 123405058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).